4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole

C14H22F3NS — CID 70521357

IUPAC4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCCCCCc1nc(C(F)(F)F)sc1CCCCC
InChIInChI=1S/C14H22F3NS/c1-3-5-7-9-11-12(10-8-6-4-2)19-13(18-11)14(15,16)17/h3-10H2,1-2H3
InChIKeyZDUCRUDAYHOLDE-UHFFFAOYSA-N
MW293.40 g/mol
LogP5.63
Rot. Bonds8

About 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole

4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 70521357) has the molecular formula C14H22F3NS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID70521357
Molecular FormulaC14H22F3NS
Molecular Weight293.40 g/mol
Exact Mass293.14
IUPAC Name4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole
SMILESCCCCCc1nc(C(F)(F)F)sc1CCCCC
InChIInChI=1S/C14H22F3NS/c1-3-5-7-9-11-12(10-8-6-4-2)19-13(18-11)14(15,16)17/h3-10H2,1-2H3
InChIKeyZDUCRUDAYHOLDE-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole (CID 70521357) is 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole is CCCCCc1nc(C(F)(F)F)sc1CCCCC.
What is the InChIKey of 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZDUCRUDAYHOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NS/c1-3-5-7-9-11-12(10-8-6-4-2)19-13(18-11)14(15,16)17/h3-10H2,1-2H3.
What are the key properties of 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole?
4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 293.40 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipentyl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 70521357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).